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SMILES: COc1ccc(\C=N\NC(=O)c2ccc3[nH]cc(C(c4c[nH]c5ccc(cc45)C(=O)N\N=C\c4ccc(OC)c(O)c4)c4ccc(C)cc4)c3c2)cc1O

InChI Key: InChIKey=AGEQGSYKJBDERX-FTNJMUCTSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50284068   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Beta-glucuronidase


(Homo sapiens (Human))		BDBM50284068
PNG
(CHEMBL4167354)
Show SMILES COc1ccc(\C=N\NC(=O)c2ccc3[nH]cc(C(c4c[nH]c5ccc(cc45)C(=O)N\N=C\c4ccc(OC)c(O)c4)c4ccc(C)cc4)c3c2)cc1O
Show InChI InChI=1S/C42H36N6O6/c1-24-4-8-27(9-5-24)40(32-22-43-34-12-10-28(18-30(32)34)41(51)47-45-20-25-6-14-38(53-2)36(49)16-25)33-23-44-35-13-11-29(19-31(33)35)42(52)48-46-21-26-7-15-39(54-3)37(50)17-26/h4-23,40,43-44,49-50H,1-3H3,(H,47,51)(H,48,52)/b45-20+,46-21+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.67E+3n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Binding affinity towards HSV-1 thymidine kinase

Eur J Med Chem 143: 1757-1767 (2018)


Article DOI: 10.1016/j.ejmech.2017.10.071
BindingDB Entry DOI: 10.7270/Q23N25X1
More data for this
Ligand-Target Pair